| CAS Number | 3242-87-3 |
| Catalog Number | AG01B557 |
| Chemical Name | 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one |
| IUPAC Name | 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one |
| InChI | InChI=1S/C13H16O/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h6-7,9H,2-5,8H2,1H3 |
| InChI Key | AOQRNLHAOYRVNA-UHFFFAOYSA-N |
| MDL Number | MFCD21984826 |
| Molecular Formula | C13H16O |
| Molecular Weight | 188.2655 |
| SMILES | CC(CC1=CC2=C(CCCC2)C=C1)=O |
| Synonyms | 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one,
3242-87-3,
SCHEMBL7650955,
ZINC82588202,
1-(5,6,7,8-Tetrahydro-2-naphthyl)-2-propanon,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.27g/mol |
| Monoisotopic Mass | 188.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number